Synthesis of dioxolylethan-1-one-containing isatin-based chalcone derivatives and their antibacterial activity

Isatin-based chalcone derivatives (3a-b) have garnered significant attention due to their versatile biological activities and potential therapeutic applications. Our research goes to the development of new small molecules of isatin-containing druglikeness using the Claisen Schmidt reaction. Actually, analytical techniques like FT-IR, 1H, 13C NMR, and HRMS were deployed for the reporting to successfully characterize.  As a preliminary investigation, synthesized compounds were passed through the computed strategy to find out the druglikeness properties. Further, the in-vitro analysis was conducted for synthesized compounds against representative bacteria B. pumilis (MTCC 160), B. cerius (MTCC1305), E. coli (ATCC 25923) and K. pneumoniae (NCTC418) obtained from NCIM, Pune (INDIA). n this study, the synthesized compound 3a, showed more significant activity against E. coli (ATCC 25923)  at 93.5 µg/ml .While other strains like B. cerius (MTCC1305), Klebsiella pneumonia  (NCTC418) and B. Pumilis (MTCC 160) at 187.2μg/ml, 156.5μg/ml and 156.25 μg/ml. This study emphasizes the relevance of combining synthetic chemistry and computational approaches to speed up drug development procedures using isatin-based chalcone derivatives.